1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide

C11H16Cl2N2O2S — CID 119964749

IUPAC1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide
SMILESCNCCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H16Cl2N2O2S/c1-14-3-2-4-15-18(16,17)8-9-5-10(12)7-11(13)6-9/h5-7,14-15H,2-4,8H2,1H3
InChIKeyIDUKKMXGCFHALL-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.02
Rot. Bonds7

About 1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide

1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide (PubChem CID 119964749) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide
PubChem CID119964749
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide
SMILESCNCCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H16Cl2N2O2S/c1-14-3-2-4-15-18(16,17)8-9-5-10(12)7-11(13)6-9/h5-7,14-15H,2-4,8H2,1H3
InChIKeyIDUKKMXGCFHALL-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride
CID 119972960
1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 75384497
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717866
1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
CID 119964790
2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide
CID 90737311
N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141118
3-[3-(methylamino)propylsulfamoylmethyl]benzoic acid
CID 61403731
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride
CID 120720466
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
3-chloro-N-[3-(methylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide
CID 120707228
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide (CID 119964749) is 1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide is CNCCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide?
The InChIKey is IDUKKMXGCFHALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-14-3-2-4-15-18(16,17)8-9-5-10(12)7-11(13)6-9/h5-7,14-15H,2-4,8H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide?
1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide has a molecular weight of 311.23 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide is sourced from PubChem (CID 119964749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).